Chemical ID: 4617831

c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)NN=Cc3ccc(cc3O)O
Chemical ID:
4617831
Name [?]:
N-[(2,4-dihydroxyphenyl)methyleneaminocarbamoylmethyl]-2,2-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)NN=Cc3ccc(cc3O)O
InChi [?]:
InChI=1/C23H21N3O4/c27-19-12-11-18(20(28)13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,27-28H,15H2,(H,24,30)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,24,25,27,22,17,4,8,23,26,28,18,7,14,16,21,20,30,29,19,15/E:(1,2)(3,4,5,6)(7,8,9,10)(16,17)/rA:30nCCCCCCCCCCCCCCONCCONNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.85093
Area:649.992
Solvation:-6.39888
Coulombic:-73.1934
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:403.431
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:3.83
LogP (Chemaxon):3.49

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Descriptor Annotations

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